SCHEMBL29310100

SCHEMBL29310100

CC(C)c1ccc(N2CC3CN(C)CC3C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
KCNH2 Q12809 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MGLL Q99685 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17661012 0.81 L3MBTL1 (0.41) L3MBTL1MEN1KMT2AMGLLKDM4E
SCHEMBL2879270 0.81 MAPT (0.57) CHRNA7CHRNB2CHRNA4L3MBTL1KCNH2
SCHEMBL22851866 0.81 MAPT (0.57) CHRNA7CHRNB2CHRNA4L3MBTL1KCNH2
SCHEMBL17660612 0.80 ALDH1A1 (0.43) L3MBTL1MEN1KMT2AMGLLKDM4E
SCHEMBL19702011 0.80 NOTUM (0.51) CHRNA7CHRNB2CHRNA4KCNH2HRH3
SCHEMBL23544861 0.79 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AMGLLKDM4E
SCHEMBL14923974 0.79 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AMGLLKDM4E
SCHEMBL23544859 0.79 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AMGLLKDM4E
SCHEMBL27389306 0.79 CHRNA7 (0.49) CHRNA7CHRNB2CHRNA4KCNH2MEN1
SCHEMBL20867677 0.78 MEN1 (0.38) L3MBTL1KCNH2MEN1KMT2AMGLL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 US disclosed
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF WEE1, WEE2, DCLRE1B CHRNA7 4854/4885CHRNB2 4712/4885CHRNA4 4862/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.